N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide

C15H30N4O3S — CID 3499603

IUPACN,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N4O3S/c1-4-18(5-2)23(21,22)19-8-6-14(7-9-19)15(20)17-12-10-16(3)11-13-17/h14H,4-13H2,1-3H3
InChIKeyJAYCUXYRITYSLY-UHFFFAOYSA-N
MW346.50 g/mol
LogP0.06
Rot. Bonds5

About N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide

N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide (PubChem CID 3499603) has the molecular formula C15H30N4O3S and a molecular weight of 346.50 g/mol. Its IUPAC name is N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide
PubChem CID3499603
Molecular FormulaC15H30N4O3S
Molecular Weight346.50 g/mol
Exact Mass346.20
IUPAC NameN,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N4O3S/c1-4-18(5-2)23(21,22)19-8-6-14(7-9-19)15(20)17-12-10-16(3)11-13-17/h14H,4-13H2,1-3H3
InChIKeyJAYCUXYRITYSLY-UHFFFAOYSA-N
XLogP0.06
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide (CID 3499603) is N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide?
The InChIKey is JAYCUXYRITYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3S/c1-4-18(5-2)23(21,22)19-8-6-14(7-9-19)15(20)17-12-10-16(3)11-13-17/h14H,4-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide?
N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide is sourced from PubChem (CID 3499603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).